7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile

C28H22N2O — CID 102043902

IUPAC7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile
SMILESCc1ccc(C2Oc3ccccc3-c3c(C)c(-c4ccccc4)c(C#N)c(N)c32)cc1
InChIInChI=1S/C28H22N2O/c1-17-12-14-20(15-13-17)28-26-25(21-10-6-7-11-23(21)31-28)18(2)24(22(16-29)27(26)30)19-8-4-3-5-9-19/h3-15,28H,30H2,1-2H3
InChIKeyUEVDPKNMWZJUPW-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.57
Rot. Bonds2

About 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile

7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile (PubChem CID 102043902) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile.

Molecular Properties

Compound Name7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile
PubChem CID102043902
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile
SMILESCc1ccc(C2Oc3ccccc3-c3c(C)c(-c4ccccc4)c(C#N)c(N)c32)cc1
InChIInChI=1S/C28H22N2O/c1-17-12-14-20(15-13-17)28-26-25(21-10-6-7-11-23(21)31-28)18(2)24(22(16-29)27(26)30)19-8-4-3-5-9-19/h3-15,28H,30H2,1-2H3
InChIKeyUEVDPKNMWZJUPW-UHFFFAOYSA-N
XLogP6.57
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile?
The IUPAC name of 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile (CID 102043902) is 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile.
What is the SMILES notation for 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile?
The canonical SMILES for 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile is Cc1ccc(C2Oc3ccccc3-c3c(C)c(-c4ccccc4)c(C#N)c(N)c32)cc1.
What is the InChIKey of 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile?
The InChIKey is UEVDPKNMWZJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-17-12-14-20(15-13-17)28-26-25(21-10-6-7-11-23(21)31-28)18(2)24(22(16-29)27(26)30)19-8-4-3-5-9-19/h3-15,28H,30H2,1-2H3.
What are the key properties of 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile?
7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile has a molecular weight of 402.50 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-10-methyl-6-(4-methylphenyl)-9-phenyl-6H-benzo[c]chromene-8-carbonitrile is sourced from PubChem (CID 102043902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).